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Dissipative particle dynamics simulations of the morphologies and dynamics of linear ABC triblock copolymers in solutions

机译：溶液中线性ABC三嵌段共聚物的形态和动力学的耗散粒子动力学模拟

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摘要

Due to the great potential in the field of multifunctional nanoreactors and carriers, several previous works have shown the interesting morphologies of multicompartment micelles from simple linear ABC triblock copolymers in dilute solutions. In this work, for linear ABC terpolymers, their concentration-induced morphologies and morphological transitions are investigated with dissipative particle dynamics simulations. Firstly, several novel morphologies beyond those already known for dilute solutions, including the spherical core-shell-corona (CSC) micelle containing a small reverse CSC inside, the hexagonal packed cylinders in a lamella, the disk CSC micelle with a ring core, the multi-segment with a ring shell, and so on, were observed by varying the terpolymer concentration and the ratio of the three blocks. Secondly, the increase of concentration generally resulted in the morphological transition from three-or two-dimensional (3D or 2D) to one-dimensional (1D) structures. Finally, the dynamic pathway of morphological formation is similar to that of ABC star miktoarm terpolymers, which has three steps, i.e. nucleation, coalescence and growth. Moreover, the qualitative analysis showed that interfacial tension plays a definite role in the formation of the final morphologies. This work enriches the molecular-level knowledge of the morphology of multicompartment micelles from the concentration-induced self-assembly of simple linear ABC terpolymers and reveals their formation pathways, which will be useful for the future preparation and application of novel micelles.
机译：由于多功能纳米反应器和载体领域的潜力，以前的几种作品从稀溶液中的简单线性ABC三嵌段共聚物中显示了多组分胶束的有趣形态。在这项工作中，对于直线ABC三元共聚物，它们的浓度诱导的形态和形态跳变与耗散粒子动力学模拟研究。首先，除了稀释溶液中已知的几种新的形态，包括含有小型反向CSC的球形核心 - 壳 - 电晕（CSC）胶束，夹层中的六边形填充圆柱体，盘CSC胶束，带环芯，多段具有环形壳，等，通过改变该三元共聚物浓度和三个块的比例观察到的。其次，浓度的增加通常导致从三维或二维（3D或2D）到一维（1D）结构的形态转变。最后，形态学形成的动态途径类似于ABC星米科特氏三聚合物，其具有三个步骤，即成核，聚结和生长。此外，定性分析表明，界面张力在形成最终形态的形成中起着明确的作用。这项工作丰富了来自简单线性ABC三聚合物的浓度诱导的自组装的多组分胶束形态的分子级知识，并揭示了它们的形成途径，这将是未来的新型胶束的制备和应用。

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  • 来源
    《RSC Advances》 |2015年第71期|共8页
  • 作者

    Zhou Chun; Xia Honggang; Zhou Yang; Xue Xianggui; Luo Shikai;

  • 作者单位

    Southwest Univ Sci &

    Technol Sch Mat Sci &

    Engn Mianyang 621010 Peoples R China;

    Dalian Med Univ Affiliated Hosp 1 Dalian 116000 Peoples R China;

    Chinese Acad Engn &

    Phys Inst Chem Mat Mianyang 621010 Peoples R China;

    Chinese Acad Engn &

    Phys Inst Chem Mat Mianyang 621010 Peoples R China;

    Chinese Acad Engn &

    Phys Inst Chem Mat Mianyang 621010 Peoples R China;

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  • 正文语种 eng
  • 中图分类 化学;
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